ethyl 2-[4-methyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-1-[[4-(4-pyridyl)piperazin-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-1-[(4-pyridin-4-yl-1-piperazinyl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-1-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-1-[[4-(4-pyridyl)piperazino]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H24N6O2S MolecularWeight: 376.47646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H24N6O2S/c1-3-25-16(24)12-15-19-23(17(26)20(15)2)13-21-8-10-22(11-9-21)14-4-6-18-7-5-14/h4-7H,3,8-13H2,1-2H3